Table 1. Relative intensity for the 11 conformation types of ubiquitin [M+8H]8+ ions (distributions represented by Gaussian functions) at different solution compositions.
%MeOH | Relative Intensity for Conformation Typesa | Sumc | ||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Nb1 | N2 | N3 | Ub | N4 | N5 | N6 | Ab1 | A2 | A3 | A4 | N | A | U | |
1020 (6)d |
1040 (25) |
1120 (41) |
1160 (60) |
1210 (34) |
1290 (42) |
1360 (47) |
1450 (49) |
1570 (28) |
1650 (11) |
1680 (6) |
||||
0 | 0.039 | 0.056 | 0.184 | 0.000 | 0.147 | 0.178 | 0.272 | 0.112 | 0.007 | 0.002 | 0.003 | 0.876 | 0.124 | 0.000 |
5 | 0.054 | 0.112 | 0.179 | 0.000 | 0.124 | 0.198 | 0.223 | 0.100 | 0.007 | 0.002 | 0.002 | 0.889 | 0.111 | 0.000 |
10 | 0.028 | 0.048 | 0.174 | 0.000 | 0.165 | 0.206 | 0.220 | 0.144 | 0.009 | 0.003 | 0.004 | 0.840 | 0.160 | 0.000 |
15 | 0.024 | 0.042 | 0.214 | 0.055 | 0.189 | 0.167 | 0.108 | 0.180 | 0.011 | 0.005 | 0.006 | 0.744 | 0.201 | 0.055 |
20 | 0.035 | 0.055 | 0.206 | 0.180 | 0.137 | 0.083 | 0.071 | 0.204 | 0.014 | 0.006 | 0.009 | 0.587 | 0.233 | 0.180 |
25 | 0.017 | 0.024 | 0.155 | 0.265 | 0.036 | 0.031 | 0.067 | 0.346 | 0.025 | 0.015 | 0.020 | 0.330 | 0.405 | 0.265 |
30 | 0.002 | 0.000 | 0.084 | 0.199 | 0.024 | 0.019 | 0.050 | 0.517 | 0.042 | 0.026 | 0.037 | 0.180 | 0.621 | 0.199 |
35 | 0.000 | 0.000 | 0.065 | 0.210 | 0.013 | 0.029 | 0.020 | 0.548 | 0.046 | 0.028 | 0.042 | 0.127 | 0.663 | 0.210 |
40 | 0.000 | 0.000 | 0.060 | 0.246 | 0.000 | 0.038 | 0.000 | 0.539 | 0.043 | 0.031 | 0.043 | 0.098 | 0.656 | 0.246 |
45 | 0.000 | 0.000 | 0.043 | 0.233 | 0.000 | 0.031 | 0.000 | 0.582 | 0.046 | 0.026 | 0.039 | 0.075 | 0.693 | 0.233 |
50 | 0.000 | 0.000 | 0.050 | 0.259 | 0.000 | 0.032 | 0.000 | 0.541 | 0.045 | 0.029 | 0.044 | 0.082 | 0.659 | 0.259 |
55 | 0.000 | 0.000 | 0.055 | 0.241 | 0.000 | 0.039 | 0.000 | 0.549 | 0.046 | 0.027 | 0.043 | 0.094 | 0.665 | 0.241 |
60 | 0.000 | 0.000 | 0.050 | 0.237 | 0.000 | 0.043 | 0.000 | 0.555 | 0.046 | 0.028 | 0.041 | 0.093 | 0.669 | 0.237 |
65 | 0.000 | 0.000 | 0.040 | 0.302 | 0.000 | 0.133 | 0.000 | 0.442 | 0.033 | 0.021 | 0.030 | 0.173 | 0.525 | 0.302 |
70 | 0.000 | 0.000 | 0.036 | 0.399 | 0.000 | 0.087 | 0.000 | 0.386 | 0.037 | 0.022 | 0.033 | 0.123 | 0.478 | 0.399 |
75 | 0.000 | 0.000 | 0.057 | 0.256 | 0.000 | 0.040 | 0.000 | 0.533 | 0.043 | 0.028 | 0.043 | 0.097 | 0.647 | 0.256 |
80 | 0.000 | 0.000 | 0.070 | 0.266 | 0.000 | 0.046 | 0.000 | 0.501 | 0.045 | 0.030 | 0.042 | 0.116 | 0.618 | 0.266 |
85 | 0.000 | 0.000 | 0.072 | 0.385 | 0.000 | 0.047 | 0.000 | 0.398 | 0.041 | 0.023 | 0.035 | 0.120 | 0.496 | 0.385 |
90 | 0.000 | 0.000 | 0.034 | 0.418 | 0.000 | 0.090 | 0.000 | 0.364 | 0.039 | 0.022 | 0.032 | 0.125 | 0.458 | 0.418 |
95 | 0.000 | 0.000 | 0.046 | 0.446 | 0.000 | 0.050 | 0.000 | 0.362 | 0.040 | 0.021 | 0.034 | 0.096 | 0.458 | 0.446 |
The reported intensities are obtained by dividing the area of each Gaussian distribution by the total area for each solution.
The solution phase state (N, A, or U) assigned to the respective gas-phase conformation type.
The sum of relative intensities of different gas-phase conformation types.
Values of the center of the 11 Gaussian distributions and the standard deviation of the distributions as represented by Ω0 (σ) where Ω0 has units of Å2.